Detailed information for compound 1718796

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.342 | Formula: C18H15N5O6
  • H donors: 5 H acceptors: 6 LogP: 1.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])NCC(=O)Nc1ccc2c(c1)c(c[nH]2)C(=O)O
  • InChi: 1S/C18H15N5O6/c24-16(9-20-18(27)22-10-1-4-12(5-2-10)23(28)29)21-11-3-6-15-13(7-11)14(8-19-15)17(25)26/h1-8,19H,9H2,(H,21,24)(H,25,26)(H2,20,22,27)
  • InChiKey: JHNOBZOZQCECDL-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2069 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.000000070479 0.00000011977
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.5011 0.8515
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.000000070479 0.00000011977
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2069 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0134 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.2069 0.5
Loa Loa (eye worm) ICD-1 protein 0.0039 0.2069 0.2069
Echinococcus multilocularis transcription factor btf3 0.0039 0.2069 0.3516
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 1 1
Brugia malayi bZIP transcription factor family protein 0.0085 0.5885 0.5885
Brugia malayi hypothetical protein 0.0067 0.436 0.436
Echinococcus granulosus transcription factor btf3 0.0039 0.2069 0.3516
Plasmodium vivax basic transcription factor 3b, putative 0.0039 0.2069 0.5
Entamoeba histolytica transcription factor BTF3, putative 0.0039 0.2069 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.2069 0.5
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.000000070479 0.00000015475
Echinococcus granulosus Ankyrin 0.0015 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2069 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.5885 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.5885 1
Leishmania major basic transcription factor 3a, putative 0.0039 0.2069 0.5
Schistosoma mansoni jun-related protein 0.0069 0.4555 1
Trypanosoma brucei transcription factor BTF3, putative 0.0039 0.2069 0.5
Onchocerca volvulus 0.0067 0.436 1
Brugia malayi beta-NAC-like protein 0.0039 0.2069 0.2069
Echinococcus granulosus jun protein 0.0085 0.5885 1
Brugia malayi Death domain containing protein 0.0015 0.000000070479 0.000000070479
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.2069 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.569 0.569
Brugia malayi Protein kinase domain containing protein 0.0015 0.000000070479 0.000000070479
Brugia malayi Uncoordinated protein 44 0.0015 0.000000070479 0.000000070479
Echinococcus multilocularis Ankyrin 0.0015 0.001 0.0018
Echinococcus multilocularis jun protein 0.0085 0.5885 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.001 0.0023
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.5011 0.8515
Schistosoma mansoni transcription factor btf3 0.0039 0.2069 0.4543
Plasmodium falciparum basic transcription factor 3b, putative 0.0039 0.2069 0.5
Toxoplasma gondii NAC domain-containing protein 0.0039 0.2069 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.4555 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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